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Ligand

NameCHEMBL90966
Molecular formulaC27H30N4O4
IUPAC name7,8-dimethoxy-3-[[4-(quinolin-6-ylmethyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight474.561
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.2
SynonymsSCHEMBL14604922
BDBM50131367
7,8-Dimethoxy-3-(4-quinolin-6-ylmethyl-piperazin-1-ylmethyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi KeyAPNJYYQXBHETAR-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N4O4/c1-32-24-13-20-23(14-25(24)33-2)34-17-21-26(35-29-27(20)21)16-31-10-8-30(9-11-31)15-18-5-6-22-19(12-18)4-3-7-28-22/h3-7,12-14,21,26H,8-11,15-17H2,1-2H3
PubChem CID44325038
ChEMBLCHEMBL90966
IUPHARN/A
BindingDB50131367
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11152Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
11151Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
11150Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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